[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 4-(4-tert-butylphenoxy)butanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 4-(4-tert-butylphenoxy)butanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 4-(4-tert-butylphenoxy)butanoate CAS Name: 4-(4-tert-butylphenoxy)butanoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-(4-tert-butylphenoxy)butanoate Traditional Name: 4-(4-tert-butylphenoxy)butyric acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C23H32N2O4 MolecularWeight: 400.51118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCCC(=O)OCC(=O)NC2(CCCCC2)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCCC(=O)OCC(=O)NC2(CCCCC2)C#N

InChI

InChI=1S/C23H32N2O4/c1-22(2,3)18-9-11-19(12-10-18)28-15-7-8-21(27)29-16-20(26)25-23(17-24)13-5-4-6-14-23/h9-12H,4-8,13-16H2,1-3H3,(H,25,26)